Matches in SemOpenAlex for { <https://semopenalex.org/work/W2070617088> ?p ?o ?g. }
- W2070617088 abstract "We performed ab initio pseudopotential and CNDO calculations on γ-aminobutyric acid (GABA) and its Ca2+ and Mg2+ clathrates. We were particularly interested in the rotational barrier existing between two extreme conformers of GABA and its modification upon metal complexing. We found that the pseudopotential method predicts a coordination of the ions to GABA and that this coordination inverts the rotational barrier observed for the isolated molecule. We also looked into the adequacy of CNDO for the study of this type of coordination and found several shortcomings in its predictions. The biological implications of these findings are discussed and a hypothesis on the role of a GABA–Ca2+ complex is presented." @default.
- W2070617088 created "2016-06-24" @default.
- W2070617088 creator A5035003555 @default.
- W2070617088 creator A5037586938 @default.
- W2070617088 date "1981-03-01" @default.
- W2070617088 modified "2023-10-02" @default.
- W2070617088 title "Magnesium and calcium cation-ligand interactions within the pseudopotential approach. II. Cation-GABA interactions" @default.
- W2070617088 cites W1558658435 @default.
- W2070617088 cites W1963485323 @default.
- W2070617088 cites W1969398467 @default.
- W2070617088 cites W1970991079 @default.
- W2070617088 cites W1971569900 @default.
- W2070617088 cites W1975946135 @default.
- W2070617088 cites W1979708273 @default.
- W2070617088 cites W1982363834 @default.
- W2070617088 cites W1987587472 @default.
- W2070617088 cites W1996289717 @default.
- W2070617088 cites W2005360876 @default.
- W2070617088 cites W2021694526 @default.
- W2070617088 cites W2024778328 @default.
- W2070617088 cites W2024887598 @default.
- W2070617088 cites W2026462355 @default.
- W2070617088 cites W2031677048 @default.
- W2070617088 cites W2036029144 @default.
- W2070617088 cites W2044682544 @default.
- W2070617088 cites W2045403721 @default.
- W2070617088 cites W2045690750 @default.
- W2070617088 cites W2049868780 @default.
- W2070617088 cites W2054112318 @default.
- W2070617088 cites W2054896660 @default.
- W2070617088 cites W2055197056 @default.
- W2070617088 cites W2055400647 @default.
- W2070617088 cites W2056385843 @default.
- W2070617088 cites W2059039811 @default.
- W2070617088 cites W2059492299 @default.
- W2070617088 cites W2067409450 @default.
- W2070617088 cites W2074177245 @default.
- W2070617088 cites W2074295840 @default.
- W2070617088 cites W2075069836 @default.
- W2070617088 cites W2075601754 @default.
- W2070617088 cites W2076857019 @default.
- W2070617088 cites W2082342794 @default.
- W2070617088 cites W2082958063 @default.
- W2070617088 cites W2089160984 @default.
- W2070617088 cites W2090838924 @default.
- W2070617088 cites W2090881853 @default.
- W2070617088 cites W2093015026 @default.
- W2070617088 cites W2093147008 @default.
- W2070617088 cites W2122043229 @default.
- W2070617088 cites W2122706200 @default.
- W2070617088 cites W2148941593 @default.
- W2070617088 cites W2168681021 @default.
- W2070617088 cites W2320023186 @default.
- W2070617088 cites W2329898820 @default.
- W2070617088 cites W2615844592 @default.
- W2070617088 cites W2995383384 @default.
- W2070617088 doi "https://doi.org/10.1002/qua.560190309" @default.
- W2070617088 hasPublicationYear "1981" @default.
- W2070617088 type Work @default.
- W2070617088 sameAs 2070617088 @default.
- W2070617088 citedByCount "7" @default.
- W2070617088 countsByYear W20706170882014 @default.
- W2070617088 crossrefType "journal-article" @default.
- W2070617088 hasAuthorship W2070617088A5035003555 @default.
- W2070617088 hasAuthorship W2070617088A5037586938 @default.
- W2070617088 hasConcept C116569031 @default.
- W2070617088 hasConcept C121332964 @default.
- W2070617088 hasConcept C132378524 @default.
- W2070617088 hasConcept C145148216 @default.
- W2070617088 hasConcept C147597530 @default.
- W2070617088 hasConcept C159467904 @default.
- W2070617088 hasConcept C170493617 @default.
- W2070617088 hasConcept C178790620 @default.
- W2070617088 hasConcept C183971685 @default.
- W2070617088 hasConcept C184779094 @default.
- W2070617088 hasConcept C185592680 @default.
- W2070617088 hasConcept C18705241 @default.
- W2070617088 hasConcept C2781442258 @default.
- W2070617088 hasConcept C32909587 @default.
- W2070617088 hasConcept C543218039 @default.
- W2070617088 hasConcept C55493867 @default.
- W2070617088 hasConcept C95306019 @default.
- W2070617088 hasConceptScore W2070617088C116569031 @default.
- W2070617088 hasConceptScore W2070617088C121332964 @default.
- W2070617088 hasConceptScore W2070617088C132378524 @default.
- W2070617088 hasConceptScore W2070617088C145148216 @default.
- W2070617088 hasConceptScore W2070617088C147597530 @default.
- W2070617088 hasConceptScore W2070617088C159467904 @default.
- W2070617088 hasConceptScore W2070617088C170493617 @default.
- W2070617088 hasConceptScore W2070617088C178790620 @default.
- W2070617088 hasConceptScore W2070617088C183971685 @default.
- W2070617088 hasConceptScore W2070617088C184779094 @default.
- W2070617088 hasConceptScore W2070617088C185592680 @default.
- W2070617088 hasConceptScore W2070617088C18705241 @default.
- W2070617088 hasConceptScore W2070617088C2781442258 @default.
- W2070617088 hasConceptScore W2070617088C32909587 @default.
- W2070617088 hasConceptScore W2070617088C543218039 @default.
- W2070617088 hasConceptScore W2070617088C55493867 @default.
- W2070617088 hasConceptScore W2070617088C95306019 @default.
- W2070617088 hasLocation W20706170881 @default.